7NEV
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![BU of 7nev by Molmil](/molmil-images/mine/7nev) | Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2021-02-05 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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1HWT
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![BU of 1hwt by Molmil](/molmil-images/mine/1hwt) | STRUCTURE OF A HAP1/DNA COMPLEX REVEALS DRAMATICALLY ASYMMETRIC DNA BINDING BY A HOMODIMERIC PROTEIN | Descriptor: | DNA (5'-D(*GP*CP*GP*CP*TP*AP*TP*TP*AP*TP*CP*GP*CP*TP*AP*TP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*AP*TP*AP*GP*CP*GP*AP*TP*AP*AP*TP*AP*GP*CP*GP*C)-3'), PROTEIN (HEME ACTIVATOR PROTEIN), ... | Authors: | King, D.A, Zhang, L, Guarente, L, Marmorstein, R. | Deposit date: | 1998-09-17 | Release date: | 1999-11-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of a HAP1-DNA complex reveals dramatically asymmetric DNA binding by a homodimeric protein. Nat.Struct.Biol., 6, 1999
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5HA9
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![BU of 5ha9 by Molmil](/molmil-images/mine/5ha9) | Crystal structure-based design and disovery of a novel PARP1 antiagonist (BL-PA10) that induces apoptosis and inhibits metastasis in triple negative breast cancer | Descriptor: | Amitriptyline, GLYCEROL, Poly [ADP-ribose] polymerase 1, ... | Authors: | Fu, L, Peng, H, Zhang, L, Ouyang, L. | Deposit date: | 2015-12-30 | Release date: | 2016-03-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (4.01 Å) | Cite: | Crystal structure-based discovery of a novel synthesized PARP1 inhibitor (OL-1) with apoptosis-inducing mechanisms in triple-negative breast cancer. Sci Rep, 6, 2016
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8OWZ
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![BU of 8owz by Molmil](/molmil-images/mine/8owz) | Crystal structure of human Sirt2 in complex with a triazole-based SirReal | Descriptor: | (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[[3-[[1-(2-methoxyethyl)-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide, ... | Authors: | Friedrich, F, Zhang, L, Schiedel, M, Einsle, O, Jung, M. | Deposit date: | 2023-04-28 | Release date: | 2023-11-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation. J.Med.Chem., 66, 2023
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5XPV
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![BU of 5xpv by Molmil](/molmil-images/mine/5xpv) | Structure of the V domain of amphioxus IgVJ-C2 | Descriptor: | amphioxus IgVJ-C2 | Authors: | Chen, R, Qi, J, Zhang, N, Zhang, L, Yao, S, Wu, Y, Jiang, B, Wang, Z, Yuan, H, Zhang, Q, Xia, C. | Deposit date: | 2017-06-05 | Release date: | 2018-04-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Analysis of Invertebrate IgVJ-C2 Structure from Amphioxus Provides Insight into the Evolution of the Ig Superfamily. J. Immunol., 200, 2018
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5XPW
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![BU of 5xpw by Molmil](/molmil-images/mine/5xpw) | Structure of amphioxus IgVJ-C2 molecule | Descriptor: | amphioxus IgVJ-C2 | Authors: | Chen, R, Qi, J, Zhang, N, Zhang, L, Yao, S, Wu, Y, Jiang, B, Wang, Z, Yuan, H, Zhang, Q, Xia, C. | Deposit date: | 2017-06-05 | Release date: | 2018-04-18 | Last modified: | 2018-04-25 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Discovery and Analysis of Invertebrate IgVJ-C2 Structure from Amphioxus Provides Insight into the Evolution of the Ig Superfamily. J. Immunol., 200, 2018
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6CSU
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![BU of 6csu by Molmil](/molmil-images/mine/6csu) | The structure of the Cep63-Cep152 heterotetrameric complex | Descriptor: | Centrosomal protein of 152 kDa, Centrosomal protein of 63 kDa | Authors: | Lee, E, Chen, Y, Zhang, L, Kim, T.S, Ahn, J.I, Park, J.E, Lee, K.S. | Deposit date: | 2018-03-21 | Release date: | 2019-03-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular architecture of a cylindrical self-assembly at human centrosomes. Nat Commun, 10, 2019
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4FZO
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1QCR
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![BU of 1qcr by Molmil](/molmil-images/mine/1qcr) | CRYSTAL STRUCTURE OF BOVINE MITOCHONDRIAL CYTOCHROME BC1 COMPLEX, ALPHA CARBON ATOMS ONLY | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, UBIQUINOL CYTOCHROME C OXIDOREDUCTASE | Authors: | Xia, D, Yu, C.A, Kim, H, Xia, J.Z, Kachurin, A, Zhang, L, Yu, L, Deisenhofer, J. | Deposit date: | 1997-05-17 | Release date: | 1998-10-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the cytochrome bc1 complex from bovine heart mitochondria. Science, 277, 1997
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4FZP
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7OG7
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![BU of 7og7 by Molmil](/molmil-images/mine/7og7) | Crystal structure of the copper chaperone NosL from Shewanella denitrificans | Descriptor: | ACETONITRILE, COPPER (I) ION, NosL, ... | Authors: | Prasser, B, Schoener, L, Zhang, L, Einsle, O. | Deposit date: | 2021-05-06 | Release date: | 2021-07-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Copper Chaperone NosL Forms a Heterometal Site for Cu Delivery to Nitrous Oxide Reductase. Angew.Chem.Int.Ed.Engl., 60, 2021
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6CSV
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![BU of 6csv by Molmil](/molmil-images/mine/6csv) | The structure of the Cep63-Cep152 heterotetrameric complex | Descriptor: | Centrosomal protein of 63 kDa,Centrosomal protein of 152 kDa | Authors: | Lee, E, Chen, Y, Zhang, L, Kim, T.S, Ahn, J.I, Park, J.E, Lee, K.S. | Deposit date: | 2018-03-21 | Release date: | 2019-03-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular architecture of a cylindrical self-assembly at human centrosomes. Nat Commun, 10, 2019
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7OSH
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![BU of 7osh by Molmil](/molmil-images/mine/7osh) | ABC Transporter complex NosDFYL, R-domain 2 | Descriptor: | COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ... | Authors: | Mueller, C, Zhang, L, Lu, W, Du, J, Einsle, O. | Deposit date: | 2021-06-08 | Release date: | 2022-06-22 | Last modified: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
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7OSJ
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![BU of 7osj by Molmil](/molmil-images/mine/7osj) | ABC Transporter complex NosDFYL, membrane anchor | Descriptor: | COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ... | Authors: | Mueller, C, Zhang, L, Lu, W, Du, J, Einsle, O. | Deposit date: | 2021-06-08 | Release date: | 2022-06-22 | Last modified: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
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7OSG
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![BU of 7osg by Molmil](/molmil-images/mine/7osg) | ABC Transporter complex NosDFYL, consensus refinement | Descriptor: | COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ... | Authors: | Mueller, C, Zhang, L, Lu, W, Du, J, Einsle, O. | Deposit date: | 2021-06-08 | Release date: | 2022-06-22 | Last modified: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
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7OSI
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![BU of 7osi by Molmil](/molmil-images/mine/7osi) | ABC Transporter complex NosDFYL, R-domain 3 | Descriptor: | COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ... | Authors: | Mueller, C, Zhang, L, Lu, W, Du, J, Einsle, O. | Deposit date: | 2021-06-08 | Release date: | 2022-06-22 | Last modified: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
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7OSF
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![BU of 7osf by Molmil](/molmil-images/mine/7osf) | ABC Transporter complex NosDFYL, R-domain 1 | Descriptor: | COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ... | Authors: | Mueller, C, Zhang, L, Lu, W, Du, J, Einsle, O. | Deposit date: | 2021-06-08 | Release date: | 2022-06-22 | Last modified: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
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5DUP
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![BU of 5dup by Molmil](/molmil-images/mine/5dup) | Influenza A virus H5 hemagglutinin globular head in complex with antibody AVFluIgG03 | Descriptor: | AVFluIgG03 Heavy Chain, AVFluIgG03 Light Chain, Hemagglutinin | Authors: | Zuo, T, Sun, J, Wang, G, Zhou, P, Wang, X, Zhang, L. | Deposit date: | 2015-09-20 | Release date: | 2015-12-16 | Method: | X-RAY DIFFRACTION (3.052 Å) | Cite: | Comprehensive analysis of antibody recognition in convalescent humans from highly pathogenic avian influenza H5N1 infection Nat Commun, 6, 2015
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5DUM
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![BU of 5dum by Molmil](/molmil-images/mine/5dum) | Crystal structure of influenza A virus H5 hemagglutinin globular head in complex with the Fab of antibody 65C6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 65C6 Heavy Chain, 65C6 Light Chain, ... | Authors: | Sun, J, Zuo, T, Wang, G, Zhou, P, Zhang, L, Wang, X. | Deposit date: | 2015-09-19 | Release date: | 2015-12-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.003 Å) | Cite: | Comprehensive analysis of antibody recognition in convalescent humans from highly pathogenic avian influenza H5N1 infection Nat Commun, 6, 2015
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5DUR
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![BU of 5dur by Molmil](/molmil-images/mine/5dur) | Influenza A virus H5 hemagglutinin globular head in complex with antibody 100F4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Antibody 100F4, Hemagglutinin, ... | Authors: | Zuo, T, Sun, J, Wang, G, Zhou, P, Wang, X, Zhang, L. | Deposit date: | 2015-09-20 | Release date: | 2015-12-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Comprehensive analysis of antibody recognition in convalescent humans from highly pathogenic avian influenza H5N1 infection Nat Commun, 6, 2015
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5DUT
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![BU of 5dut by Molmil](/molmil-images/mine/5dut) | Influenza A virus H5 hemagglutinin globular head | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin | Authors: | Zuo, T, Sun, J, Wang, G, Zhou, P, Wang, X, Zhang, L. | Deposit date: | 2015-09-20 | Release date: | 2015-12-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Comprehensive analysis of antibody recognition in convalescent humans from highly pathogenic avian influenza H5N1 infection Nat Commun, 6, 2015
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6IHC
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![BU of 6ihc by Molmil](/molmil-images/mine/6ihc) | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) Y100A mutant in complex with holo-ACP from Helicobacter pylori | Descriptor: | 3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ, CITRIC ACID, N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide, ... | Authors: | Shen, S.Q, Zhang, L, Zhang, L. | Deposit date: | 2018-09-29 | Release date: | 2019-04-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A back-door Phenylalanine coordinates the stepwise hexameric loading of acyl carrier protein by the fatty acid biosynthesis enzyme beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ). Int. J. Biol. Macromol., 128, 2019
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8CWR
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8CWT
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5X0S
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![BU of 5x0s by Molmil](/molmil-images/mine/5x0s) | Solution NMR structure of peptide toxin SsTx from Scolopendra subspinipes mutilans | Descriptor: | SsTx | Authors: | Wu, F, Luo, L, Qu, D, Zhang, L, Tian, C, Lai, R. | Deposit date: | 2017-01-23 | Release date: | 2018-01-24 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Centipedes subdue giant prey by blocking KCNQ channels Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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